ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane

C15H23F3O2Si — CID 135074693

IUPACditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane
SMILESCC(C)(C)[Si](O)(Oc1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H23F3O2Si/c1-13(2,3)21(19,14(4,5)6)20-12-9-7-8-11(10-12)15(16,17)18/h7-10,19H,1-6H3
InChIKeyDNSLWKYIWVUCST-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.12
Rot. Bonds2

About ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane

ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane (PubChem CID 135074693) has the molecular formula C15H23F3O2Si and a molecular weight of 320.43 g/mol. Its IUPAC name is ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane.

Molecular Properties

Compound Nameditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane
PubChem CID135074693
Molecular FormulaC15H23F3O2Si
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Nameditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane
SMILESCC(C)(C)[Si](O)(Oc1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H23F3O2Si/c1-13(2,3)21(19,14(4,5)6)20-12-9-7-8-11(10-12)15(16,17)18/h7-10,19H,1-6H3
InChIKeyDNSLWKYIWVUCST-UHFFFAOYSA-N
XLogP5.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene
CID 67930269
CID 59626106
CID 59626106
tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate
CID 66339372
1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene
CID 123153369
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62352644
2,2-dimethyl-4-[3-(trifluoromethyl)phenoxy]butanethioamide
CID 65247944
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane?
The IUPAC name of ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane (CID 135074693) is ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane.
What is the SMILES notation for ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane?
The canonical SMILES for ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane is CC(C)(C)[Si](O)(Oc1cccc(C(F)(F)F)c1)C(C)(C)C.
What is the InChIKey of ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane?
The InChIKey is DNSLWKYIWVUCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O2Si/c1-13(2,3)21(19,14(4,5)6)20-12-9-7-8-11(10-12)15(16,17)18/h7-10,19H,1-6H3.
What are the key properties of ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane?
ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane has a molecular weight of 320.43 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane is sourced from PubChem (CID 135074693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).